3-(furan-2-ylmethyl)-1-(2-methoxyethyl)-8-(thiophen-2-ylmethyl)-7H-purine-2,6-dione

Systemtic Name: 3-(furan-2-ylmethyl)-1-(2-methoxyethyl)-8-(thiophen-2-ylmethyl)-7H-purine-2,6-dione Openeye Name: 3-(2-furylmethyl)-1-(2-methoxyethyl)-8-(2-thienylmethyl)-7H-purine-2,6-dione CAS Name: 3-(2-furanylmethyl)-1-(2-methoxyethyl)-8-(thiophen-2-ylmethyl)-7H-purine-2,6-dione IUPAC Name: 3-(furan-2-ylmethyl)-1-(2-methoxyethyl)-8-(thiophen-2-ylmethyl)-7H-purine-2,6-dione Traditional Name: 3-(2-furfuryl)-1-(2-methoxyethyl)-8-(2-thenyl)-7H-purine-2,6-quinone Formula: C18H18N4O4S MolecularWeight: 386.42492

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1C(=O)C2=C(N=C(N2)CC3=CC=CS3)N(C1=O)CC4=CC=CO4

Isomeric SMILES

COCCN1C(=O)C2=C(N=C(N2)CC3=CC=CS3)N(C1=O)CC4=CC=CO4

InChI

InChI=1S/C18H18N4O4S/c1-25-8-6-21-17(23)15-16(20-14(19-15)10-13-5-3-9-27-13)22(18(21)24)11-12-4-2-7-26-12/h2-5,7,9H,6,8,10-11H2,1H3,(H,19,20)